NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
643666 |
6nfw   |
27506 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6nfw
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 585
_Distance_constraint_stats_list.Viol_count 364
_Distance_constraint_stats_list.Viol_total 123.610
_Distance_constraint_stats_list.Viol_max 0.438
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0340
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 71 TYR 0.003 0.001 7 0 "[ . 1]"
1 72 SER 0.012 0.008 10 0 "[ . 1]"
1 73 PHE 0.014 0.008 10 0 "[ . 1]"
1 74 ILE 0.113 0.032 10 0 "[ . 1]"
1 75 GLN 0.000 0.000 . 0 "[ . 1]"
1 76 PHE 3.543 0.178 8 0 "[ . 1]"
1 77 VAL 0.127 0.040 5 0 "[ . 1]"
1 78 ASP 0.252 0.038 2 0 "[ . 1]"
1 80 LEU 0.018 0.016 4 0 "[ . 1]"
1 81 THR 0.425 0.098 5 0 "[ . 1]"
1 82 GLY 0.122 0.073 5 0 "[ . 1]"
1 83 ALA 0.615 0.098 5 0 "[ . 1]"
1 84 GLN 1.002 0.126 9 0 "[ . 1]"
1 85 ILE 2.336 0.126 9 0 "[ . 1]"
1 86 GLU 1.246 0.178 8 0 "[ . 1]"
1 87 GLU 0.738 0.148 7 0 "[ . 1]"
1 88 ASN 0.273 0.094 7 0 "[ . 1]"
1 89 VAL 0.044 0.031 6 0 "[ . 1]"
1 90 TYR 0.165 0.064 2 0 "[ . 1]"
1 91 ALA 0.313 0.094 7 0 "[ . 1]"
1 92 ASP 0.005 0.005 9 0 "[ . 1]"
1 93 ILE 0.206 0.116 7 0 "[ . 1]"
1 94 ARG 0.032 0.028 6 0 "[ . 1]"
1 95 ASP 0.020 0.015 7 0 "[ . 1]"
1 96 ILE 0.747 0.116 7 0 "[ . 1]"
1 97 GLN 0.015 0.015 7 0 "[ . 1]"
1 98 GLU 0.006 0.006 3 0 "[ . 1]"
1 99 ARG 0.015 0.009 5 0 "[ . 1]"
1 100 PHE 0.000 0.000 . 0 "[ . 1]"
1 101 SER 0.000 0.000 . 0 "[ . 1]"
1 102 GLU 0.000 0.000 . 0 "[ . 1]"
1 103 VAL 0.204 0.052 7 0 "[ . 1]"
1 104 ARG 0.000 0.000 . 0 "[ . 1]"
1 105 LYS 0.126 0.052 7 0 "[ . 1]"
1 106 LYS 0.084 0.073 9 0 "[ . 1]"
1 107 MET 0.000 0.000 . 0 "[ . 1]"
1 108 VAL 0.841 0.438 4 0 "[ . 1]"
1 109 GLU 0.097 0.087 9 0 "[ . 1]"
1 110 ASN 0.000 0.000 . 0 "[ . 1]"
1 111 ASP 0.138 0.132 4 0 "[ . 1]"
1 112 ASP 0.283 0.047 9 0 "[ . 1]"
1 113 ILE 0.556 0.047 9 0 "[ . 1]"
1 114 GLU 0.493 0.050 7 0 "[ . 1]"
1 115 MET 0.028 0.021 2 0 "[ . 1]"
1 116 GLN 0.029 0.021 2 0 "[ . 1]"
1 117 ALA 0.354 0.050 7 0 "[ . 1]"
1 118 LEU 0.000 0.000 . 0 "[ . 1]"
1 119 GLY 0.000 0.000 . 0 "[ . 1]"
1 121 ASN 0.001 0.001 8 0 "[ . 1]"
1 122 THR 0.000 0.000 . 0 "[ . 1]"
1 123 THR 0.170 0.134 3 0 "[ . 1]"
1 124 ILE 0.184 0.038 7 0 "[ . 1]"
1 125 HIS 0.000 0.000 . 0 "[ . 1]"
1 126 ALA 0.000 0.000 . 0 "[ . 1]"
1 127 TYR 0.267 0.049 4 0 "[ . 1]"
1 128 PHE 0.135 0.033 6 0 "[ . 1]"
1 132 TRP 0.000 0.000 . 0 "[ . 1]"
1 133 SER 0.000 0.000 . 0 "[ . 1]"
1 135 LYS 0.121 0.046 10 0 "[ . 1]"
1 136 ALA 0.075 0.049 4 0 "[ . 1]"
1 137 LEU 0.279 0.039 6 0 "[ . 1]"
1 138 LYS 0.060 0.039 6 0 "[ . 1]"
1 139 ILE 0.002 0.002 8 0 "[ . 1]"
1 140 ASP 0.000 0.000 . 0 "[ . 1]"
1 141 LEU 0.007 0.005 4 0 "[ . 1]"
1 142 MET 0.005 0.003 4 0 "[ . 1]"
1 145 ASN 0.000 0.000 . 0 "[ . 1]"
1 146 PRO 0.000 0.000 . 0 "[ . 1]"
1 147 LEU 0.006 0.004 6 0 "[ . 1]"
1 148 LYS 0.000 0.000 . 0 "[ . 1]"
1 149 VAL 0.000 0.000 . 0 "[ . 1]"
1 150 CYS 0.000 0.000 . 0 "[ . 1]"
1 154 ASN 0.115 0.091 7 0 "[ . 1]"
1 155 GLY 0.417 0.259 2 0 "[ . 1]"
1 156 ILE 2.243 0.259 2 0 "[ . 1]"
1 157 ALA 1.872 0.247 1 0 "[ . 1]"
1 158 LYS 0.001 0.001 1 0 "[ . 1]"
1 159 PHE 0.000 0.000 . 0 "[ . 1]"
1 160 PRO 0.000 0.000 . 0 "[ . 1]"
1 161 GLU 0.000 0.000 . 0 "[ . 1]"
1 162 ARG 0.000 0.000 . 0 "[ . 1]"
1 163 GLU 0.000 0.000 . 0 "[ . 1]"
1 164 LEU 0.005 0.005 10 0 "[ . 1]"
1 165 GLU 0.000 0.000 . 0 "[ . 1]"
1 166 LEU 0.040 0.007 8 0 "[ . 1]"
1 167 ARG 0.000 0.000 . 0 "[ . 1]"
1 169 THR 0.005 0.003 4 0 "[ . 1]"
1 171 PRO 0.000 0.000 . 0 "[ . 1]"
1 172 ALA 0.158 0.035 3 0 "[ . 1]"
1 173 VAL 0.016 0.011 8 0 "[ . 1]"
1 174 GLU 0.068 0.025 8 0 "[ . 1]"
1 175 VAL 0.073 0.033 3 0 "[ . 1]"
1 176 ASP 0.121 0.046 10 0 "[ . 1]"
1 177 VAL 0.349 0.112 3 0 "[ . 1]"
1 178 LYS 0.000 0.000 . 0 "[ . 1]"
1 179 ASP 0.000 0.000 . 0 "[ . 1]"
1 180 ILE 0.056 0.012 9 0 "[ . 1]"
1 181 PRO 0.000 0.000 . 0 "[ . 1]"
1 182 ALA 0.468 0.089 4 0 "[ . 1]"
1 183 GLN 0.424 0.089 4 0 "[ . 1]"
1 184 GLU 0.092 0.077 8 0 "[ . 1]"
1 185 VAL 0.079 0.077 8 0 "[ . 1]"
1 186 GLU 0.000 0.000 1 0 "[ . 1]"
1 187 HIS 0.000 0.000 1 0 "[ . 1]"
1 188 GLU 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 116 GLN H 1 117 ALA H . . 4.080 2.537 2.410 2.819 . 0 0 "[ . 1]" 1
2 1 100 PHE H 1 100 PHE QD . . 4.320 4.025 3.721 4.182 . 0 0 "[ . 1]" 1
3 1 88 ASN H 1 89 VAL H . . 4.710 4.404 4.348 4.461 . 0 0 "[ . 1]" 1
4 1 156 ILE H 1 156 ILE MD . . 3.230 2.330 1.839 3.210 . 0 0 "[ . 1]" 1
5 1 137 LEU MD2 1 174 GLU H . . 4.790 3.998 2.712 4.370 . 0 0 "[ . 1]" 1
6 1 136 ALA H 1 176 ASP HA . . 4.160 3.048 2.365 3.578 . 0 0 "[ . 1]" 1
7 1 76 PHE H 1 85 ILE MG . . 3.980 4.067 4.025 4.095 0.115 4 0 "[ . 1]" 1
8 1 135 LYS HA 1 136 ALA H . . 3.370 2.447 2.231 2.528 . 0 0 "[ . 1]" 1
9 1 86 GLU H 1 87 GLU H . . 4.580 4.243 4.111 4.420 . 0 0 "[ . 1]" 1
10 1 75 GLN H 1 76 PHE H . . 4.690 4.341 4.242 4.407 . 0 0 "[ . 1]" 1
11 1 74 ILE MG 1 76 PHE H . . 5.020 3.958 3.861 4.110 . 0 0 "[ . 1]" 1
12 1 74 ILE MG 1 128 PHE H . . 5.500 3.846 3.397 4.174 . 0 0 "[ . 1]" 1
13 1 176 ASP H 1 179 ASP H . . 4.780 4.301 4.069 4.449 . 0 0 "[ . 1]" 1
14 1 177 VAL H 1 179 ASP H . . 5.150 4.176 4.148 4.203 . 0 0 "[ . 1]" 1
15 1 74 ILE MG 1 127 TYR H . . 4.160 3.084 2.902 3.333 . 0 0 "[ . 1]" 1
16 1 85 ILE MD 1 100 PHE H . . 4.230 3.109 2.507 3.661 . 0 0 "[ . 1]" 1
17 1 88 ASN H 1 88 ASN HD21 . . 4.340 3.438 2.092 4.345 0.005 2 0 "[ . 1]" 1
18 1 128 PHE H 1 137 LEU H . . 4.210 3.859 3.537 4.223 0.013 10 0 "[ . 1]" 1
19 1 128 PHE H 1 128 PHE QD . . 4.200 3.200 2.062 4.233 0.033 6 0 "[ . 1]" 1
20 1 127 TYR HB3 1 128 PHE H . . 4.770 3.892 3.628 4.046 . 0 0 "[ . 1]" 1
21 1 76 PHE H 1 76 PHE QD . . 4.210 4.075 3.939 4.162 . 0 0 "[ . 1]" 1
22 1 71 TYR H 1 71 TYR QD . . 3.870 2.518 2.317 2.906 . 0 0 "[ . 1]" 1
23 1 71 TYR H 1 71 TYR QE . . 4.360 4.273 3.922 4.361 0.001 7 0 "[ . 1]" 1
24 1 71 TYR QD 1 72 SER H . . 5.110 4.038 2.873 4.895 . 0 0 "[ . 1]" 1
25 1 72 SER H 1 73 PHE QD . . 5.310 2.972 2.500 3.565 . 0 0 "[ . 1]" 1
26 1 72 SER H 1 73 PHE H . . 3.940 3.423 2.903 3.948 0.008 10 0 "[ . 1]" 1
27 1 73 PHE H 1 74 ILE H . . 4.550 4.367 4.328 4.417 . 0 0 "[ . 1]" 1
28 1 73 PHE H 1 73 PHE QD . . 4.170 2.571 1.967 2.924 . 0 0 "[ . 1]" 1
29 1 73 PHE H 1 73 PHE QE . . 4.340 4.230 3.917 4.342 0.002 7 0 "[ . 1]" 1
30 1 73 PHE QE 1 74 ILE H . . 5.160 4.849 4.519 5.121 . 0 0 "[ . 1]" 1
31 1 72 SER H 1 73 PHE QE . . 4.720 4.448 4.145 4.724 0.004 10 0 "[ . 1]" 1
32 1 73 PHE QE 1 75 GLN H . . 5.500 4.817 4.551 5.084 . 0 0 "[ . 1]" 1
33 1 73 PHE QE 1 86 GLU H . . 5.500 5.152 4.842 5.499 . 0 0 "[ . 1]" 1
34 1 76 PHE QD 1 77 VAL H . . 4.110 3.275 2.237 3.654 . 0 0 "[ . 1]" 1
35 1 76 PHE QE 1 77 VAL H . . 4.660 4.337 3.920 4.599 . 0 0 "[ . 1]" 1
36 1 77 VAL H 1 127 TYR QD . . 4.620 4.434 4.193 4.638 0.018 4 0 "[ . 1]" 1
37 1 77 VAL H 1 125 HIS H . . 4.300 3.742 3.403 3.895 . 0 0 "[ . 1]" 1
38 1 76 PHE QE 1 78 ASP H . . 4.390 4.306 4.108 4.416 0.026 9 0 "[ . 1]" 1
39 1 77 VAL H 1 127 TYR H . . 4.660 4.039 3.861 4.316 . 0 0 "[ . 1]" 1
40 1 80 LEU H 1 81 THR H . . 3.600 2.924 1.883 3.241 . 0 0 "[ . 1]" 1
41 1 81 THR H 1 82 GLY H . . 3.360 2.316 1.972 2.809 . 0 0 "[ . 1]" 1
42 1 81 THR H 1 83 ALA H . . 4.690 3.965 3.649 4.565 . 0 0 "[ . 1]" 1
43 1 76 PHE QE 1 83 ALA H . . 5.500 5.508 5.322 5.579 0.079 6 0 "[ . 1]" 1
44 1 82 GLY H 1 83 ALA H . . 3.430 2.155 1.888 2.591 . 0 0 "[ . 1]" 1
45 1 76 PHE QD 1 85 ILE H . . 4.100 3.313 2.944 4.144 0.044 6 0 "[ . 1]" 1
46 1 76 PHE QE 1 125 HIS H . . 4.640 4.261 3.448 4.620 . 0 0 "[ . 1]" 1
47 1 76 PHE QD 1 86 GLU H . . 5.500 5.625 5.516 5.678 0.178 8 0 "[ . 1]" 1
48 1 84 GLN H 1 85 ILE H . . 4.340 4.157 4.038 4.242 . 0 0 "[ . 1]" 1
49 1 84 GLN HE21 1 85 ILE H . . 5.500 5.420 4.870 5.626 0.126 9 0 "[ . 1]" 1
50 1 88 ASN H 1 88 ASN HD22 . . 4.340 3.891 3.077 4.283 . 0 0 "[ . 1]" 1
51 1 76 PHE QD 1 87 GLU H . . 5.500 5.574 5.520 5.648 0.148 7 0 "[ . 1]" 1
52 1 73 PHE QE 1 87 GLU H . . 4.670 4.084 3.675 4.668 . 0 0 "[ . 1]" 1
53 1 89 VAL H 1 91 ALA H . . 4.470 4.381 4.240 4.501 0.031 6 0 "[ . 1]" 1
54 1 90 TYR H 1 90 TYR QD . . 3.860 2.685 2.077 3.222 . 0 0 "[ . 1]" 1
55 1 90 TYR H 1 90 TYR QE . . 4.460 4.279 3.911 4.524 0.064 2 0 "[ . 1]" 1
56 1 162 ARG H 1 163 GLU H . . 5.500 4.194 2.732 4.644 . 0 0 "[ . 1]" 1
57 1 91 ALA H 1 92 ASP H . . 4.650 4.208 2.831 4.620 . 0 0 "[ . 1]" 1
58 1 96 ILE H 1 97 GLN H . . 3.990 2.758 2.552 2.880 . 0 0 "[ . 1]" 1
59 1 95 ASP H 1 98 GLU H . . 5.210 4.985 4.586 5.216 0.006 3 0 "[ . 1]" 1
60 1 96 ILE H 1 98 GLU H . . 4.470 4.248 3.949 4.470 . 0 0 "[ . 1]" 1
61 1 95 ASP H 1 97 GLN H . . 4.480 4.032 3.782 4.495 0.015 7 0 "[ . 1]" 1
62 1 100 PHE QD 1 101 SER H . . 4.650 4.238 3.968 4.506 . 0 0 "[ . 1]" 1
63 1 101 SER H 1 103 VAL H . . 5.150 4.638 4.234 4.756 . 0 0 "[ . 1]" 1
64 1 100 PHE H 1 102 GLU H . . 4.570 4.430 4.380 4.530 . 0 0 "[ . 1]" 1
65 1 102 GLU H 1 103 VAL H . . 3.490 2.822 2.596 2.929 . 0 0 "[ . 1]" 1
66 1 103 VAL H 1 104 ARG H . . 3.710 2.811 2.687 2.984 . 0 0 "[ . 1]" 1
67 1 105 LYS H 1 106 LYS H . . 3.980 2.798 2.686 2.901 . 0 0 "[ . 1]" 1
68 1 106 LYS H 1 107 MET H . . 4.200 2.648 2.533 2.736 . 0 0 "[ . 1]" 1
69 1 122 THR H 1 123 THR H . . 3.400 2.302 1.888 2.914 . 0 0 "[ . 1]" 1
70 1 106 LYS H 1 108 VAL H . . 4.690 4.433 3.874 4.683 . 0 0 "[ . 1]" 1
71 1 106 LYS H 1 109 GLU H . . 4.690 4.599 4.460 4.695 0.005 8 0 "[ . 1]" 1
72 1 90 TYR H 1 91 ALA H . . 4.230 2.841 2.620 3.012 . 0 0 "[ . 1]" 1
73 1 112 ASP H 1 113 ILE H . . 3.020 1.906 1.883 1.943 . 0 0 "[ . 1]" 1
74 1 109 GLU H 1 110 ASN H . . 4.350 2.689 2.507 2.851 . 0 0 "[ . 1]" 1
75 1 114 GLU H 1 117 ALA H . . 4.610 4.573 4.173 4.660 0.050 7 0 "[ . 1]" 1
76 1 123 THR H 1 124 ILE H . . 4.650 4.597 4.532 4.644 . 0 0 "[ . 1]" 1
77 1 127 TYR H 1 127 TYR QD . . 3.820 3.196 2.390 3.763 . 0 0 "[ . 1]" 1
78 1 126 ALA H 1 127 TYR H . . 4.520 4.366 4.284 4.425 . 0 0 "[ . 1]" 1
79 1 76 PHE QD 1 127 TYR H . . 5.500 5.480 5.335 5.539 0.039 9 0 "[ . 1]" 1
80 1 138 LYS H 1 173 VAL H . . 3.920 2.935 2.703 3.170 . 0 0 "[ . 1]" 1
81 1 127 TYR H 1 128 PHE H . . 5.150 4.142 4.008 4.381 . 0 0 "[ . 1]" 1
82 1 135 LYS H 1 136 ALA H . . 4.620 4.418 4.332 4.519 . 0 0 "[ . 1]" 1
83 1 141 LEU H 1 142 MET H . . 4.700 4.496 4.437 4.553 . 0 0 "[ . 1]" 1
84 1 94 ARG H 1 95 ASP H . . 3.600 2.809 2.690 2.958 . 0 0 "[ . 1]" 1
85 1 94 ARG H 1 96 ILE H . . 4.580 4.397 4.082 4.608 0.028 6 0 "[ . 1]" 1
86 1 159 PHE H 1 159 PHE QD . . 3.870 3.400 2.478 3.863 . 0 0 "[ . 1]" 1
87 1 161 GLU H 1 162 ARG H . . 4.750 3.997 2.807 4.550 . 0 0 "[ . 1]" 1
88 1 173 VAL H 1 174 GLU H . . 5.200 4.294 4.165 4.372 . 0 0 "[ . 1]" 1
89 1 136 ALA H 1 177 VAL H . . 4.530 3.479 3.050 4.153 . 0 0 "[ . 1]" 1
90 1 101 SER H 1 102 GLU H . . 3.790 2.789 2.745 2.848 . 0 0 "[ . 1]" 1
91 1 179 ASP H 1 180 ILE H . . 3.360 2.739 2.685 2.819 . 0 0 "[ . 1]" 1
92 1 178 LYS H 1 180 ILE H . . 4.350 4.288 4.209 4.348 . 0 0 "[ . 1]" 1
93 1 178 LYS H 1 179 ASP H . . 3.300 2.450 2.329 2.587 . 0 0 "[ . 1]" 1
94 1 176 ASP H 1 180 ILE H . . 5.160 4.609 4.436 4.813 . 0 0 "[ . 1]" 1
95 1 180 ILE H 1 180 ILE MG . . 3.500 2.508 2.459 2.567 . 0 0 "[ . 1]" 1
96 1 180 ILE H 1 180 ILE MD . . 3.780 3.681 3.621 3.744 . 0 0 "[ . 1]" 1
97 1 137 LEU H 1 137 LEU MD2 . . 4.560 3.956 3.507 4.457 . 0 0 "[ . 1]" 1
98 1 137 LEU H 1 137 LEU MD1 . . 4.560 4.255 4.125 4.388 . 0 0 "[ . 1]" 1
99 1 137 LEU MD1 1 138 LYS H . . 4.680 3.071 1.907 4.673 . 0 0 "[ . 1]" 1
100 1 137 LEU MD2 1 138 LYS H . . 4.680 3.160 2.199 3.855 . 0 0 "[ . 1]" 1
101 1 85 ILE MD 1 99 ARG H . . 4.030 3.709 3.053 4.039 0.009 5 0 "[ . 1]" 1
102 1 96 ILE H 1 96 ILE MD . . 3.940 3.563 3.225 3.650 . 0 0 "[ . 1]" 1
103 1 96 ILE H 1 96 ILE MG . . 4.260 3.765 3.763 3.767 . 0 0 "[ . 1]" 1
104 1 96 ILE MG 1 98 GLU H . . 5.500 4.837 4.662 5.021 . 0 0 "[ . 1]" 1
105 1 96 ILE MG 1 99 ARG H . . 5.500 4.707 4.480 5.193 . 0 0 "[ . 1]" 1
106 1 85 ILE MD 1 96 ILE H . . 5.130 4.961 4.401 5.153 0.023 10 0 "[ . 1]" 1
107 1 89 VAL H 1 89 VAL MG1 . . 3.860 3.246 1.911 3.766 . 0 0 "[ . 1]" 1
108 1 89 VAL MG1 1 90 TYR H . . 4.400 3.315 2.021 3.934 . 0 0 "[ . 1]" 1
109 1 89 VAL MG2 1 90 TYR H . . 4.400 3.586 2.002 3.887 . 0 0 "[ . 1]" 1
110 1 74 ILE MD 1 91 ALA H . . 5.230 4.533 3.974 4.959 . 0 0 "[ . 1]" 1
111 1 85 ILE H 1 85 ILE MD . . 4.710 4.310 3.618 4.469 . 0 0 "[ . 1]" 1
112 1 74 ILE MG 1 75 GLN H . . 3.690 2.427 2.138 2.716 . 0 0 "[ . 1]" 1
113 1 74 ILE H 1 74 ILE MG . . 4.600 3.821 3.798 3.851 . 0 0 "[ . 1]" 1
114 1 113 ILE MD 1 114 GLU H . . 2.940 2.541 2.415 2.938 . 0 0 "[ . 1]" 1
115 1 124 ILE H 1 124 ILE MG . . 3.460 2.885 2.603 3.193 . 0 0 "[ . 1]" 1
116 1 126 ALA H 1 126 ALA MB . . 3.420 2.329 2.223 2.460 . 0 0 "[ . 1]" 1
117 1 125 HIS HA 1 126 ALA H . . 3.430 2.157 2.140 2.219 . 0 0 "[ . 1]" 1
118 1 123 THR H 1 123 THR HB . . 4.170 3.064 2.501 3.758 . 0 0 "[ . 1]" 1
119 1 126 ALA MB 1 127 TYR H . . 3.760 3.213 3.066 3.350 . 0 0 "[ . 1]" 1
120 1 76 PHE HA 1 77 VAL H . . 3.530 2.163 2.145 2.180 . 0 0 "[ . 1]" 1
121 1 84 GLN H 1 84 GLN HG3 . . 4.300 3.750 2.413 4.118 . 0 0 "[ . 1]" 1
122 1 85 ILE HA 1 86 GLU H . . 3.040 2.250 2.242 2.266 . 0 0 "[ . 1]" 1
123 1 85 ILE H 1 85 ILE HB . . 3.820 2.882 2.758 2.925 . 0 0 "[ . 1]" 1
124 1 175 VAL HB 1 176 ASP H . . 4.690 4.058 3.828 4.171 . 0 0 "[ . 1]" 1
125 1 86 GLU HA 1 87 GLU H . . 3.510 2.161 2.140 2.167 . 0 0 "[ . 1]" 1
126 1 86 GLU HB3 1 87 GLU H . . 4.400 4.296 3.711 4.388 . 0 0 "[ . 1]" 1
127 1 86 GLU H 1 86 GLU HB3 . . 3.870 3.023 2.353 3.623 . 0 0 "[ . 1]" 1
128 1 75 GLN H 1 75 GLN HB3 . . 4.010 2.919 2.447 3.584 . 0 0 "[ . 1]" 1
129 1 156 ILE HB 1 157 ALA H . . 4.190 3.484 2.199 4.334 0.144 1 0 "[ . 1]" 1
130 1 88 ASN H 1 88 ASN HB3 . . 3.830 3.448 3.078 3.830 0.000 10 0 "[ . 1]" 1
131 1 88 ASN HB3 1 90 TYR H . . 4.400 3.939 3.216 4.408 0.008 2 0 "[ . 1]" 1
132 1 91 ALA H 1 91 ALA MB . . 2.940 2.266 2.025 2.817 . 0 0 "[ . 1]" 1
133 1 91 ALA MB 1 92 ASP H . . 3.720 3.235 2.877 3.717 . 0 0 "[ . 1]" 1
134 1 92 ASP H 1 92 ASP HB3 . . 3.980 3.156 2.740 3.668 . 0 0 "[ . 1]" 1
135 1 93 ILE HA 1 96 ILE H . . 3.960 3.324 2.946 3.565 . 0 0 "[ . 1]" 1
136 1 102 GLU HB3 1 103 VAL H . . 3.930 2.954 2.697 3.776 . 0 0 "[ . 1]" 1
137 1 107 MET H 1 107 MET HB3 . . 3.750 3.041 2.584 3.577 . 0 0 "[ . 1]" 1
138 1 179 ASP H 1 179 ASP HB3 . . 4.070 3.049 2.499 3.564 . 0 0 "[ . 1]" 1
139 1 110 ASN H 1 110 ASN HB3 . . 3.680 2.894 2.493 3.590 . 0 0 "[ . 1]" 1
140 1 112 ASP HB3 1 113 ILE H . . 3.820 2.681 2.582 2.772 . 0 0 "[ . 1]" 1
141 1 109 GLU HA 1 110 ASN H . . 3.570 3.528 3.503 3.552 . 0 0 "[ . 1]" 1
142 1 111 ASP H 1 111 ASP HA . . 2.800 2.276 2.274 2.278 . 0 0 "[ . 1]" 1
143 1 111 ASP HA 1 112 ASP H . . 3.230 2.459 2.331 2.617 . 0 0 "[ . 1]" 1
144 1 112 ASP H 1 112 ASP HB3 . . 3.000 2.826 2.745 2.955 . 0 0 "[ . 1]" 1
145 1 113 ILE H 1 113 ILE HB . . 4.000 3.801 3.784 3.816 . 0 0 "[ . 1]" 1
146 1 113 ILE H 1 113 ILE HG13 . . 4.100 1.947 1.929 1.981 . 0 0 "[ . 1]" 1
147 1 113 ILE HA 1 114 GLU H . . 2.610 2.611 2.475 2.633 0.023 3 0 "[ . 1]" 1
148 1 117 ALA H 1 117 ALA MB . . 2.990 2.178 2.075 2.276 . 0 0 "[ . 1]" 1
149 1 118 LEU H 1 118 LEU HB3 . . 3.480 3.000 2.400 3.461 . 0 0 "[ . 1]" 1
150 1 132 TRP HB3 1 133 SER H . . 4.370 3.177 2.043 4.346 . 0 0 "[ . 1]" 1
151 1 136 ALA H 1 136 ALA MB . . 3.600 2.445 2.302 2.621 . 0 0 "[ . 1]" 1
152 1 136 ALA HA 1 137 LEU H . . 3.330 2.153 2.143 2.204 . 0 0 "[ . 1]" 1
153 1 171 PRO HA 1 172 ALA H . . 2.830 2.404 2.149 2.639 . 0 0 "[ . 1]" 1
154 1 172 ALA H 1 172 ALA MB . . 2.940 2.166 2.044 2.327 . 0 0 "[ . 1]" 1
155 1 172 ALA HA 1 173 VAL H . . 3.370 2.302 2.191 2.394 . 0 0 "[ . 1]" 1
156 1 173 VAL HA 1 174 GLU H . . 2.650 2.147 2.141 2.153 . 0 0 "[ . 1]" 1
157 1 174 GLU H 1 175 VAL HA . . 5.500 5.227 5.130 5.333 . 0 0 "[ . 1]" 1
158 1 174 GLU HA 1 175 VAL H . . 3.230 2.171 2.139 2.248 . 0 0 "[ . 1]" 1
159 1 175 VAL HA 1 176 ASP H . . 2.860 2.193 2.148 2.253 . 0 0 "[ . 1]" 1
160 1 173 VAL H 1 173 VAL HB . . 4.180 2.694 2.565 2.776 . 0 0 "[ . 1]" 1
161 1 176 ASP HA 1 177 VAL H . . 3.330 2.183 2.140 2.231 . 0 0 "[ . 1]" 1
162 1 175 VAL H 1 175 VAL HB . . 4.170 3.045 2.908 3.395 . 0 0 "[ . 1]" 1
163 1 175 VAL H 1 175 VAL MG2 . . 4.090 3.311 2.891 4.012 . 0 0 "[ . 1]" 1
164 1 175 VAL H 1 175 VAL MG1 . . 4.090 3.483 2.338 3.973 . 0 0 "[ . 1]" 1
165 1 177 VAL H 1 177 VAL HB . . 3.820 3.253 2.397 3.616 . 0 0 "[ . 1]" 1
166 1 177 VAL H 1 177 VAL MG2 . . 3.630 2.543 1.922 3.742 0.112 3 0 "[ . 1]" 1
167 1 177 VAL H 1 177 VAL MG1 . . 3.630 2.219 2.100 2.400 . 0 0 "[ . 1]" 1
168 1 180 ILE H 1 180 ILE HB . . 3.750 3.603 3.600 3.608 . 0 0 "[ . 1]" 1
169 1 182 ALA H 1 182 ALA MB . . 2.760 2.476 2.101 2.740 . 0 0 "[ . 1]" 1
170 1 181 PRO HA 1 182 ALA H . . 2.450 2.390 2.337 2.421 . 0 0 "[ . 1]" 1
171 1 148 LYS HA 1 149 VAL H . . 2.720 2.423 2.202 2.566 . 0 0 "[ . 1]" 1
172 1 184 GLU HA 1 185 VAL H . . 2.940 2.363 2.144 3.017 0.077 8 0 "[ . 1]" 1
173 1 183 GLN HA 1 184 GLU H . . 2.970 2.244 2.145 2.580 . 0 0 "[ . 1]" 1
174 1 185 VAL HA 1 186 GLU H . . 2.400 2.211 2.153 2.291 . 0 0 "[ . 1]" 1
175 1 188 GLU H 1 188 GLU HA . . 2.890 2.834 2.762 2.879 . 0 0 "[ . 1]" 1
176 1 113 ILE MD 1 117 ALA H . . 3.560 2.107 1.839 2.484 . 0 0 "[ . 1]" 1
177 1 80 LEU MD1 1 121 ASN HD22 . . 5.700 3.127 1.965 4.518 . 0 0 "[ . 1]" 1
178 1 113 ILE MG 1 116 GLN HE21 . . 4.280 2.781 2.219 4.233 . 0 0 "[ . 1]" 1
179 1 113 ILE MG 1 116 GLN HE22 . . 4.280 3.086 2.563 4.168 . 0 0 "[ . 1]" 1
180 1 110 ASN H 1 111 ASP HA . . 5.190 4.985 4.834 5.032 . 0 0 "[ . 1]" 1
181 1 73 PHE HB3 1 74 ILE H . . 4.290 3.591 3.471 3.739 . 0 0 "[ . 1]" 1
182 1 80 LEU MD2 1 121 ASN HD21 . . 5.700 3.694 2.037 5.673 . 0 0 "[ . 1]" 1
183 1 74 ILE H 1 74 ILE MD . . 4.370 3.192 2.146 4.066 . 0 0 "[ . 1]" 1
184 1 74 ILE MD 1 75 GLN H . . 5.250 5.008 4.819 5.144 . 0 0 "[ . 1]" 1
185 1 75 GLN HB3 1 76 PHE H . . 4.690 4.088 3.606 4.392 . 0 0 "[ . 1]" 1
186 1 76 PHE H 1 85 ILE HB . . 4.610 3.849 3.455 4.088 . 0 0 "[ . 1]" 1
187 1 126 ALA MB 1 128 PHE H . . 5.500 4.289 4.011 4.570 . 0 0 "[ . 1]" 1
188 1 77 VAL H 1 126 ALA HA . . 4.460 3.333 2.691 3.559 . 0 0 "[ . 1]" 1
189 1 78 ASP H 1 83 ALA HA . . 4.670 4.352 3.900 4.679 0.009 3 0 "[ . 1]" 1
190 1 77 VAL H 1 77 VAL HB . . 4.030 3.047 2.820 3.385 . 0 0 "[ . 1]" 1
191 1 77 VAL H 1 77 VAL MG1 . . 4.210 3.257 2.177 3.971 . 0 0 "[ . 1]" 1
192 1 77 VAL H 1 77 VAL MG2 . . 4.210 3.348 2.853 3.982 . 0 0 "[ . 1]" 1
193 1 77 VAL MG2 1 78 ASP H . . 4.120 3.122 1.904 3.945 . 0 0 "[ . 1]" 1
194 1 77 VAL MG1 1 78 ASP H . . 4.120 2.652 1.923 3.942 . 0 0 "[ . 1]" 1
195 1 78 ASP H 1 83 ALA MB . . 4.490 2.670 2.086 2.939 . 0 0 "[ . 1]" 1
196 1 80 LEU H 1 80 LEU MD1 . . 4.530 3.275 1.900 4.280 . 0 0 "[ . 1]" 1
197 1 80 LEU MD2 1 81 THR H . . 4.590 3.810 2.429 4.450 . 0 0 "[ . 1]" 1
198 1 80 LEU MD1 1 81 THR H . . 4.590 3.640 2.649 4.189 . 0 0 "[ . 1]" 1
199 1 81 THR H 1 81 THR MG . . 3.830 2.634 1.904 3.802 . 0 0 "[ . 1]" 1
200 1 82 GLY H 1 83 ALA MB . . 4.210 3.729 3.503 4.166 . 0 0 "[ . 1]" 1
201 1 81 THR MG 1 82 GLY H . . 4.030 2.577 1.927 4.103 0.073 5 0 "[ . 1]" 1
202 1 81 THR MG 1 83 ALA H . . 3.960 3.208 2.757 3.966 0.006 1 0 "[ . 1]" 1
203 1 83 ALA H 1 83 ALA MB . . 2.920 2.115 2.037 2.229 . 0 0 "[ . 1]" 1
204 1 84 GLN H 1 103 VAL MG1 . . 5.480 4.593 3.338 5.045 . 0 0 "[ . 1]" 1
205 1 84 GLN H 1 103 VAL MG2 . . 5.480 3.925 2.799 5.020 . 0 0 "[ . 1]" 1
206 1 84 GLN H 1 85 ILE HB . . 5.240 5.264 5.137 5.352 0.112 7 0 "[ . 1]" 1
207 1 83 ALA MB 1 84 GLN H . . 3.070 2.450 2.270 2.761 . 0 0 "[ . 1]" 1
208 1 84 GLN HE22 1 103 VAL HB . . 5.220 4.854 3.801 5.232 0.012 7 0 "[ . 1]" 1
209 1 81 THR H 1 81 THR HB . . 4.200 3.010 2.505 3.236 . 0 0 "[ . 1]" 1
210 1 81 THR HB 1 82 GLY H . . 4.320 3.377 2.038 3.997 . 0 0 "[ . 1]" 1
211 1 83 ALA HA 1 84 GLN HE22 . . 4.560 3.638 2.431 4.531 . 0 0 "[ . 1]" 1
212 1 78 ASP HA 1 83 ALA H . . 4.970 4.564 4.302 4.775 . 0 0 "[ . 1]" 1
213 1 76 PHE H 1 85 ILE H . . 4.710 3.311 3.027 3.679 . 0 0 "[ . 1]" 1
214 1 85 ILE MG 1 86 GLU H . . 3.230 2.151 2.079 2.182 . 0 0 "[ . 1]" 1
215 1 85 ILE MG 1 87 GLU H . . 4.230 3.733 3.590 4.039 . 0 0 "[ . 1]" 1
216 1 88 ASN HB3 1 88 ASN HD22 . . 4.090 3.801 3.525 4.013 . 0 0 "[ . 1]" 1
217 1 88 ASN HB3 1 89 VAL H . . 4.350 2.772 1.919 3.548 . 0 0 "[ . 1]" 1
218 1 90 TYR H 1 91 ALA MB . . 4.690 4.357 4.140 4.564 . 0 0 "[ . 1]" 1
219 1 85 ILE MG 1 96 ILE H . . 4.980 4.554 3.965 5.029 0.049 6 0 "[ . 1]" 1
220 1 96 ILE H 1 96 ILE HB . . 3.870 2.578 2.524 2.628 . 0 0 "[ . 1]" 1
221 1 102 GLU H 1 102 GLU HB3 . . 3.610 3.379 2.341 3.520 . 0 0 "[ . 1]" 1
222 1 93 ILE HB 1 95 ASP H . . 5.500 5.176 5.043 5.458 . 0 0 "[ . 1]" 1
223 1 113 ILE MD 1 116 GLN H . . 4.050 2.262 1.983 2.927 . 0 0 "[ . 1]" 1
224 1 113 ILE MD 1 118 LEU H . . 4.390 3.549 3.090 4.064 . 0 0 "[ . 1]" 1
225 1 97 GLN H 1 97 GLN HB3 . . 3.450 2.820 2.323 3.442 . 0 0 "[ . 1]" 1
226 1 96 ILE HB 1 97 GLN H . . 3.450 2.658 2.210 2.788 . 0 0 "[ . 1]" 1
227 1 112 ASP H 1 113 ILE HG13 . . 3.690 3.490 3.377 3.630 . 0 0 "[ . 1]" 1
228 1 93 ILE MG 1 97 GLN H . . 3.720 3.497 3.170 3.655 . 0 0 "[ . 1]" 1
229 1 112 ASP H 1 113 ILE MG . . 5.140 4.340 4.293 4.417 . 0 0 "[ . 1]" 1
230 1 112 ASP H 1 113 ILE MD . . 5.420 4.451 4.205 4.608 . 0 0 "[ . 1]" 1
231 1 96 ILE MD 1 97 GLN H . . 4.920 4.669 4.389 4.767 . 0 0 "[ . 1]" 1
232 1 96 ILE MG 1 97 GLN H . . 4.160 3.475 3.169 3.619 . 0 0 "[ . 1]" 1
233 1 106 LYS HB3 1 107 MET H . . 4.720 3.316 2.836 3.785 . 0 0 "[ . 1]" 1
234 1 118 LEU H 1 118 LEU MD1 . . 4.890 3.750 2.627 4.282 . 0 0 "[ . 1]" 1
235 1 103 VAL MG1 1 104 ARG H . . 4.010 2.789 2.049 4.007 . 0 0 "[ . 1]" 1
236 1 104 ARG HA 1 107 MET H . . 4.220 3.490 3.392 3.638 . 0 0 "[ . 1]" 1
237 1 105 LYS HA 1 108 VAL H . . 4.600 3.867 3.770 4.070 . 0 0 "[ . 1]" 1
238 1 105 LYS HA 1 109 GLU H . . 4.140 3.992 3.681 4.082 . 0 0 "[ . 1]" 1
239 1 89 VAL HB 1 90 TYR H . . 4.060 3.078 2.626 4.048 . 0 0 "[ . 1]" 1
240 1 113 ILE HB 1 116 GLN H . . 3.850 2.508 2.283 2.660 . 0 0 "[ . 1]" 1
241 1 118 LEU H 1 118 LEU MD2 . . 4.890 4.186 3.317 4.410 . 0 0 "[ . 1]" 1
242 1 108 VAL HA 1 111 ASP H . . 3.800 3.595 3.303 3.683 . 0 0 "[ . 1]" 1
243 1 112 ASP H 1 113 ILE HA . . 5.260 4.542 4.406 4.630 . 0 0 "[ . 1]" 1
244 1 113 ILE HA 1 116 GLN H . . 5.500 4.710 4.500 4.920 . 0 0 "[ . 1]" 1
245 1 114 GLU HA 1 116 GLN H . . 5.500 4.665 4.533 4.825 . 0 0 "[ . 1]" 1
246 1 111 ASP HA 1 113 ILE H . . 4.100 3.941 3.759 4.103 0.003 5 0 "[ . 1]" 1
247 1 115 MET H 1 116 GLN HA . . 4.520 4.294 4.178 4.541 0.021 2 0 "[ . 1]" 1
248 1 113 ILE H 1 114 GLU H . . 4.450 4.407 4.396 4.457 0.007 2 0 "[ . 1]" 1
249 1 123 THR H 1 123 THR MG . . 3.630 2.554 1.978 3.764 0.134 3 0 "[ . 1]" 1
250 1 122 THR MG 1 123 THR H . . 4.230 3.747 2.041 4.229 . 0 0 "[ . 1]" 1
251 1 123 THR MG 1 124 ILE H . . 4.020 3.552 2.263 4.024 0.004 1 0 "[ . 1]" 1
252 1 124 ILE HB 1 125 HIS H . . 4.110 2.622 2.543 2.779 . 0 0 "[ . 1]" 1
253 1 136 ALA MB 1 177 VAL H . . 5.020 3.622 3.040 4.903 . 0 0 "[ . 1]" 1
254 1 125 HIS H 1 125 HIS HB3 . . 4.160 3.268 2.844 3.638 . 0 0 "[ . 1]" 1
255 1 125 HIS HB3 1 126 ALA H . . 4.720 3.709 3.366 4.084 . 0 0 "[ . 1]" 1
256 1 124 ILE MD 1 126 ALA H . . 4.210 3.414 3.046 4.048 . 0 0 "[ . 1]" 1
257 1 77 VAL HB 1 127 TYR H . . 5.190 5.070 4.642 5.215 0.025 6 0 "[ . 1]" 1
258 1 106 LYS H 1 106 LYS HG3 . . 4.420 3.288 2.205 4.406 . 0 0 "[ . 1]" 1
259 1 135 LYS HA 1 176 ASP H . . 4.660 4.660 4.555 4.706 0.046 10 0 "[ . 1]" 1
260 1 76 PHE HA 1 127 TYR H . . 4.450 3.272 3.117 3.582 . 0 0 "[ . 1]" 1
261 1 123 THR HB 1 124 ILE H . . 4.420 3.404 2.583 4.168 . 0 0 "[ . 1]" 1
262 1 127 TYR QD 1 128 PHE H . . 4.470 4.329 3.888 4.482 0.012 8 0 "[ . 1]" 1
263 1 135 LYS H 1 136 ALA MB . . 5.500 5.106 4.688 5.426 . 0 0 "[ . 1]" 1
264 1 135 LYS H 1 135 LYS HE3 . . 5.150 4.470 3.541 5.138 . 0 0 "[ . 1]" 1
265 1 135 LYS HG3 1 136 ALA H . . 5.150 4.236 3.465 4.896 . 0 0 "[ . 1]" 1
266 1 138 LYS H 1 173 VAL HB . . 3.730 3.555 3.329 3.741 0.011 8 0 "[ . 1]" 1
267 1 140 ASP H 1 169 THR MG . . 4.110 3.878 2.860 4.106 . 0 0 "[ . 1]" 1
268 1 138 LYS H 1 139 ILE HA . . 5.500 4.938 4.845 5.172 . 0 0 "[ . 1]" 1
269 1 138 LYS H 1 172 ALA HA . . 5.500 4.805 4.396 5.062 . 0 0 "[ . 1]" 1
270 1 136 ALA H 1 175 VAL HA . . 4.950 4.613 4.477 4.857 . 0 0 "[ . 1]" 1
271 1 142 MET H 1 169 THR MG . . 4.290 4.045 3.292 4.293 0.003 4 0 "[ . 1]" 1
272 1 139 ILE MG 1 140 ASP H . . 4.630 3.682 3.597 4.019 . 0 0 "[ . 1]" 1
273 1 172 ALA MB 1 173 VAL H . . 3.540 2.711 2.397 2.975 . 0 0 "[ . 1]" 1
274 1 142 MET H 1 142 MET HB3 . . 4.120 3.550 3.338 3.817 . 0 0 "[ . 1]" 1
275 1 174 GLU H 1 174 GLU HG3 . . 3.680 2.073 1.918 2.227 . 0 0 "[ . 1]" 1
276 1 172 ALA MB 1 174 GLU H . . 4.770 4.646 4.363 4.795 0.025 8 0 "[ . 1]" 1
277 1 137 LEU MD2 1 175 VAL H . . 5.500 4.305 3.493 5.533 0.033 3 0 "[ . 1]" 1
278 1 175 VAL H 1 180 ILE MG . . 5.500 4.397 4.035 5.018 . 0 0 "[ . 1]" 1
279 1 137 LEU MD1 1 175 VAL H . . 5.500 4.791 4.481 5.215 . 0 0 "[ . 1]" 1
280 1 136 ALA MB 1 175 VAL H . . 4.470 3.639 3.286 3.887 . 0 0 "[ . 1]" 1
281 1 161 GLU H 1 161 GLU HB3 . . 3.870 3.323 2.875 3.863 . 0 0 "[ . 1]" 1
282 1 176 ASP HB3 1 177 VAL H . . 4.040 3.145 2.906 3.440 . 0 0 "[ . 1]" 1
283 1 124 ILE HG13 1 125 HIS H . . 4.810 4.390 4.259 4.577 . 0 0 "[ . 1]" 1
284 1 176 ASP HB3 1 178 LYS H . . 3.520 2.717 2.511 2.963 . 0 0 "[ . 1]" 1
285 1 177 VAL MG2 1 178 LYS H . . 4.040 2.608 1.917 3.874 . 0 0 "[ . 1]" 1
286 1 177 VAL MG1 1 178 LYS H . . 4.040 3.411 1.989 4.004 . 0 0 "[ . 1]" 1
287 1 80 LEU H 1 80 LEU MD2 . . 4.530 3.681 2.362 4.272 . 0 0 "[ . 1]" 1
288 1 103 VAL HB 1 104 ARG H . . 4.020 3.097 2.178 4.010 . 0 0 "[ . 1]" 1
289 1 179 ASP HB3 1 180 ILE H . . 4.790 2.786 2.326 3.265 . 0 0 "[ . 1]" 1
290 1 175 VAL MG1 1 180 ILE H . . 5.500 2.891 2.086 3.986 . 0 0 "[ . 1]" 1
291 1 180 ILE HB 1 182 ALA H . . 4.720 4.642 4.410 4.732 0.012 4 0 "[ . 1]" 1
292 1 186 GLU H 1 187 HIS HA . . 5.200 4.969 4.611 5.200 . 1 0 "[ . 1]" 1
293 1 180 ILE HA 1 182 ALA H . . 5.220 5.041 4.976 5.119 . 0 0 "[ . 1]" 1
294 1 177 VAL HA 1 180 ILE H . . 4.250 3.842 3.636 4.005 . 0 0 "[ . 1]" 1
295 1 177 VAL HA 1 179 ASP H . . 4.690 4.395 4.292 4.478 . 0 0 "[ . 1]" 1
296 1 178 LYS H 1 179 ASP HA . . 5.250 5.086 4.977 5.205 . 0 0 "[ . 1]" 1
297 1 182 ALA H 1 183 GLN HE21 . . 4.620 4.364 3.267 4.673 0.053 4 0 "[ . 1]" 1
298 1 158 LYS HA 1 159 PHE H . . 3.250 2.503 2.146 2.850 . 0 0 "[ . 1]" 1
299 1 160 PRO HA 1 161 GLU H . . 2.860 2.388 2.201 2.635 . 0 0 "[ . 1]" 1
300 1 161 GLU HA 1 162 ARG H . . 3.180 2.396 2.139 2.784 . 0 0 "[ . 1]" 1
301 1 164 LEU HA 1 165 GLU H . . 3.100 2.362 2.145 2.838 . 0 0 "[ . 1]" 1
302 1 137 LEU HA 1 174 GLU H . . 5.130 4.794 4.548 4.986 . 0 0 "[ . 1]" 1
303 1 156 ILE HA 1 157 ALA H . . 3.360 2.741 2.207 3.501 0.141 5 0 "[ . 1]" 1
304 1 157 ALA H 1 157 ALA MB . . 3.140 2.474 2.148 2.912 . 0 0 "[ . 1]" 1
305 1 146 PRO HA 1 147 LEU H . . 2.950 2.293 2.180 2.587 . 0 0 "[ . 1]" 1
306 1 157 ALA HA 1 158 LYS H . . 3.180 2.392 2.159 2.854 . 0 0 "[ . 1]" 1
307 1 147 LEU H 1 147 LEU MD1 . . 3.910 3.207 2.215 3.914 0.004 6 0 "[ . 1]" 1
308 1 147 LEU H 1 147 LEU MD2 . . 3.910 3.061 2.084 3.906 . 0 0 "[ . 1]" 1
309 1 157 ALA MB 1 158 LYS H . . 3.680 3.026 2.461 3.681 0.001 1 0 "[ . 1]" 1
310 1 182 ALA HA 1 183 GLN H . . 2.820 2.371 2.203 2.736 . 0 0 "[ . 1]" 1
311 1 93 ILE H 1 93 ILE HB . . 2.740 2.610 2.582 2.690 . 0 0 "[ . 1]" 1
312 1 77 VAL H 1 83 ALA MB . . 5.500 5.307 4.624 5.540 0.040 5 0 "[ . 1]" 1
313 1 137 LEU HG 1 138 LYS H . . 4.840 4.090 2.983 4.879 0.039 6 0 "[ . 1]" 1
314 1 78 ASP HA 1 82 GLY H . . 5.430 5.155 4.714 5.436 0.006 1 0 "[ . 1]" 1
315 1 78 ASP HA 1 81 THR H . . 5.500 5.388 4.909 5.538 0.038 2 0 "[ . 1]" 1
316 1 83 ALA HA 1 84 GLN H . . 2.740 2.435 2.282 2.468 . 0 0 "[ . 1]" 1
317 1 88 ASN HB3 1 91 ALA H . . 5.190 5.144 4.894 5.284 0.094 7 0 "[ . 1]" 1
318 1 93 ILE H 1 93 ILE HG13 . . 4.450 3.519 3.493 3.562 . 0 0 "[ . 1]" 1
319 1 93 ILE H 1 96 ILE HB . . 5.500 5.350 5.111 5.511 0.011 3 0 "[ . 1]" 1
320 1 98 GLU HA 1 100 PHE H . . 4.780 4.389 4.221 4.610 . 0 0 "[ . 1]" 1
321 1 108 VAL H 1 108 VAL HB . . 3.180 2.682 2.462 3.618 0.438 4 0 "[ . 1]" 1
322 1 83 ALA MB 1 103 VAL H . . 5.180 4.928 4.308 5.184 0.004 2 0 "[ . 1]" 1
323 1 102 GLU HG3 1 103 VAL H . . 5.500 4.425 1.955 4.889 . 0 0 "[ . 1]" 1
324 1 103 VAL MG2 1 104 ARG H . . 4.010 3.495 2.119 3.747 . 0 0 "[ . 1]" 1
325 1 137 LEU H 1 138 LYS HA . . 5.240 5.066 4.976 5.211 . 0 0 "[ . 1]" 1
326 1 110 ASN H 1 111 ASP H . . 4.630 2.719 2.568 2.768 . 0 0 "[ . 1]" 1
327 1 113 ILE HG13 1 114 GLU H . . 4.570 4.135 4.027 4.452 . 0 0 "[ . 1]" 1
328 1 124 ILE H 1 124 ILE HG13 . . 3.500 2.067 1.947 2.195 . 0 0 "[ . 1]" 1
329 1 113 ILE HB 1 114 GLU H . . 3.000 1.970 1.938 2.215 . 0 0 "[ . 1]" 1
330 1 137 LEU HA 1 173 VAL H . . 5.410 4.662 4.473 4.839 . 0 0 "[ . 1]" 1
331 1 138 LYS HA 1 173 VAL H . . 5.500 4.733 4.429 4.898 . 0 0 "[ . 1]" 1
332 1 149 VAL H 1 149 VAL MG1 . . 4.260 3.055 2.044 3.936 . 0 0 "[ . 1]" 1
333 1 149 VAL H 1 149 VAL MG2 . . 4.260 2.815 1.922 4.041 . 0 0 "[ . 1]" 1
334 1 147 LEU HA 1 148 LYS H . . 3.110 2.506 2.323 2.591 . 0 0 "[ . 1]" 1
335 1 163 GLU HA 1 164 LEU H . . 3.210 2.497 2.192 3.044 . 0 0 "[ . 1]" 1
336 1 162 ARG HA 1 163 GLU H . . 3.410 2.354 2.144 2.826 . 0 0 "[ . 1]" 1
337 1 145 ASN H 1 146 PRO HD3 . . 4.340 2.858 2.396 4.295 . 0 0 "[ . 1]" 1
338 1 183 GLN H 1 183 GLN HE22 . . 4.550 3.852 3.235 4.347 . 0 0 "[ . 1]" 1
339 1 135 LYS H 1 176 ASP HA . . 5.110 4.918 4.795 5.058 . 0 0 "[ . 1]" 1
340 1 96 ILE HA 1 99 ARG H . . 4.420 3.714 3.485 3.981 . 0 0 "[ . 1]" 1
341 1 156 ILE MG 1 157 ALA H . . 4.090 4.024 3.354 4.337 0.247 1 0 "[ . 1]" 1
342 1 156 ILE MD 1 157 ALA H . . 4.470 3.581 2.071 4.601 0.131 10 0 "[ . 1]" 1
343 1 147 LEU HB3 1 148 LYS H . . 3.670 3.215 2.068 3.665 . 0 0 "[ . 1]" 1
344 1 113 ILE MD 1 115 MET H . . 3.560 3.089 2.822 3.293 . 0 0 "[ . 1]" 1
345 1 185 VAL HB 1 186 GLU H . . 4.400 4.050 3.901 4.331 . 0 0 "[ . 1]" 1
346 1 149 VAL HB 1 150 CYS H . . 4.270 3.323 2.065 4.151 . 0 0 "[ . 1]" 1
347 1 117 ALA MB 1 118 LEU H . . 3.340 2.580 2.398 2.713 . 0 0 "[ . 1]" 1
348 1 137 LEU HA 1 175 VAL H . . 3.910 3.476 3.022 3.912 0.002 8 0 "[ . 1]" 1
349 1 135 LYS HA 1 177 VAL H . . 3.950 2.408 1.949 2.868 . 0 0 "[ . 1]" 1
350 1 178 LYS HA 1 180 ILE H . . 4.940 4.663 4.580 4.786 . 0 0 "[ . 1]" 1
351 1 187 HIS HA 1 188 GLU H . . 2.400 2.328 2.228 2.400 . 0 0 "[ . 1]" 1
352 1 183 GLN HA 1 183 GLN HE21 . . 5.140 2.994 2.542 4.044 . 0 0 "[ . 1]" 1
353 1 139 ILE H 1 139 ILE MG . . 3.220 2.199 2.003 2.368 . 0 0 "[ . 1]" 1
354 1 185 VAL H 1 185 VAL HB . . 3.120 2.669 2.470 3.122 0.002 3 0 "[ . 1]" 1
355 1 139 ILE H 1 139 ILE HB . . 3.360 3.159 2.962 3.242 . 0 0 "[ . 1]" 1
356 1 183 GLN HB3 1 183 GLN HE21 . . 4.190 3.796 2.834 4.192 0.002 3 0 "[ . 1]" 1
357 1 184 GLU H 1 184 GLU HG3 . . 4.120 3.244 2.345 4.082 . 0 0 "[ . 1]" 1
358 1 182 ALA MB 1 183 GLN H . . 2.980 2.571 1.910 2.918 . 0 0 "[ . 1]" 1
359 1 182 ALA MB 1 183 GLN HE22 . . 5.070 4.952 4.672 5.159 0.089 4 0 "[ . 1]" 1
360 1 182 ALA MB 1 184 GLU H . . 4.400 4.137 3.140 4.406 0.006 4 0 "[ . 1]" 1
361 1 74 ILE MD 1 74 ILE MG . . 3.610 2.481 1.925 3.171 . 0 0 "[ . 1]" 1
362 1 74 ILE MG 1 126 ALA MB . . 3.450 2.681 1.911 3.092 . 0 0 "[ . 1]" 1
363 1 74 ILE MG 1 128 PHE HA . . 4.330 2.616 1.977 3.183 . 0 0 "[ . 1]" 1
364 1 76 PHE QE 1 96 ILE MG . . 4.010 2.704 1.898 3.234 . 0 0 "[ . 1]" 1
365 1 85 ILE MG 1 96 ILE MG . . 3.470 2.847 1.992 3.492 0.022 6 0 "[ . 1]" 1
366 1 93 ILE MG 1 96 ILE MG . . 4.360 3.867 3.233 4.175 . 0 0 "[ . 1]" 1
367 1 96 ILE MG 1 124 ILE MG . . 4.680 3.884 3.446 4.245 . 0 0 "[ . 1]" 1
368 1 85 ILE HB 1 96 ILE MG . . 4.250 3.519 2.797 4.042 . 0 0 "[ . 1]" 1
369 1 96 ILE MG 1 124 ILE HB . . 5.360 5.073 4.682 5.376 0.016 9 0 "[ . 1]" 1
370 1 76 PHE QD 1 85 ILE MD . . 4.130 2.643 2.011 3.956 . 0 0 "[ . 1]" 1
371 1 76 PHE QD 1 96 ILE MD . . 3.880 2.770 2.391 3.005 . 0 0 "[ . 1]" 1
372 1 76 PHE QE 1 96 ILE MD . . 4.110 3.187 2.578 3.803 . 0 0 "[ . 1]" 1
373 1 128 PHE QD 1 137 LEU MD2 . . 5.500 5.068 4.455 5.495 . 0 0 "[ . 1]" 1
374 1 74 ILE MD 1 128 PHE QD . . 4.500 2.930 1.958 3.911 . 0 0 "[ . 1]" 1
375 1 175 VAL MG1 1 180 ILE MG . . 3.690 1.867 1.806 1.983 . 0 0 "[ . 1]" 1
376 1 85 ILE HB 1 85 ILE MD . . 3.620 2.468 2.162 3.211 . 0 0 "[ . 1]" 1
377 1 85 ILE MD 1 96 ILE HB . . 4.730 4.351 4.039 4.839 0.109 7 0 "[ . 1]" 1
378 1 96 ILE MD 1 124 ILE MD . . 4.110 3.931 3.691 4.148 0.038 7 0 "[ . 1]" 1
379 1 177 VAL MG1 1 180 ILE MD . . 5.500 3.440 2.751 4.376 . 0 0 "[ . 1]" 1
380 1 137 LEU MD1 1 174 GLU HG3 . . 5.230 4.530 3.546 5.159 . 0 0 "[ . 1]" 1
381 1 137 LEU MD2 1 174 GLU HG3 . . 5.230 4.308 3.771 5.228 . 0 0 "[ . 1]" 1
382 1 180 ILE MD 1 182 ALA MB . . 4.740 2.766 2.137 3.435 . 0 0 "[ . 1]" 1
383 1 74 ILE MD 1 91 ALA MB . . 4.740 3.982 3.525 4.388 . 0 0 "[ . 1]" 1
384 1 96 ILE HB 1 96 ILE MD . . 3.570 2.474 2.373 3.213 . 0 0 "[ . 1]" 1
385 1 96 ILE MD 1 124 ILE HB . . 5.160 5.063 4.510 5.197 0.037 6 0 "[ . 1]" 1
386 1 85 ILE HB 1 96 ILE MD . . 4.700 4.159 2.494 4.578 . 0 0 "[ . 1]" 1
387 1 177 VAL HB 1 180 ILE MD . . 4.180 3.669 3.401 4.089 . 0 0 "[ . 1]" 1
388 1 74 ILE MG 1 128 PHE QE . . 4.570 3.306 2.021 4.581 0.011 6 0 "[ . 1]" 1
389 1 128 PHE QD 1 137 LEU MD1 . . 5.500 4.633 3.013 5.394 . 0 0 "[ . 1]" 1
390 1 74 ILE HA 1 74 ILE MD . . 4.230 3.641 3.284 3.882 . 0 0 "[ . 1]" 1
391 1 177 VAL HA 1 180 ILE MD . . 4.110 2.178 2.117 2.283 . 0 0 "[ . 1]" 1
392 1 137 LEU HA 1 137 LEU MD1 . . 3.940 2.768 2.122 3.760 . 0 0 "[ . 1]" 1
393 1 137 LEU HA 1 137 LEU MD2 . . 3.940 2.448 2.072 3.108 . 0 0 "[ . 1]" 1
394 1 137 LEU MD1 1 174 GLU HA . . 4.150 3.206 2.680 3.864 . 0 0 "[ . 1]" 1
395 1 137 LEU MD2 1 174 GLU HA . . 4.150 2.805 1.983 3.789 . 0 0 "[ . 1]" 1
396 1 180 ILE HA 1 180 ILE MG . . 3.650 2.128 2.085 2.156 . 0 0 "[ . 1]" 1
397 1 175 VAL HB 1 180 ILE MG . . 4.210 2.479 1.938 3.530 . 0 0 "[ . 1]" 1
398 1 96 ILE HA 1 96 ILE MD . . 3.980 3.641 2.122 3.858 . 0 0 "[ . 1]" 1
399 1 93 ILE HA 1 96 ILE MD . . 4.360 3.004 2.160 3.676 . 0 0 "[ . 1]" 1
400 1 85 ILE HA 1 85 ILE MD . . 4.050 3.624 2.140 3.809 . 0 0 "[ . 1]" 1
401 1 85 ILE MD 1 96 ILE HA . . 3.990 2.661 1.976 2.972 . 0 0 "[ . 1]" 1
402 1 93 ILE MD 1 96 ILE MD . . 3.830 2.726 2.215 3.661 . 0 0 "[ . 1]" 1
403 1 93 ILE MD 1 96 ILE MG . . 3.860 3.809 3.561 3.869 0.009 2 0 "[ . 1]" 1
404 1 96 ILE MG 1 124 ILE MD . . 4.830 4.796 4.694 4.849 0.019 7 0 "[ . 1]" 1
405 1 108 VAL HA 1 113 ILE MD . . 3.910 3.686 2.677 3.923 0.013 7 0 "[ . 1]" 1
406 1 113 ILE MD 1 117 ALA HA . . 4.420 3.984 2.744 4.428 0.008 9 0 "[ . 1]" 1
407 1 156 ILE HA 1 156 ILE MD . . 3.610 3.551 3.470 3.641 0.031 5 0 "[ . 1]" 1
408 1 113 ILE MD 1 114 GLU HA . . 3.510 3.027 2.907 3.226 . 0 0 "[ . 1]" 1
409 1 93 ILE HA 1 93 ILE MD . . 3.660 2.000 1.952 2.049 . 0 0 "[ . 1]" 1
410 1 92 ASP HA 1 93 ILE MD . . 4.460 4.356 3.796 4.465 0.005 9 0 "[ . 1]" 1
411 1 112 ASP HB3 1 113 ILE MD . . 4.820 4.844 4.777 4.867 0.047 9 0 "[ . 1]" 1
412 1 76 PHE QE 1 124 ILE MG . . 3.990 2.286 2.075 2.466 . 0 0 "[ . 1]" 1
413 1 76 PHE QD 1 85 ILE MG . . 3.720 3.429 2.907 3.576 . 0 0 "[ . 1]" 1
414 1 137 LEU MD1 1 172 ALA MB . . 3.710 2.449 1.827 3.349 . 0 0 "[ . 1]" 1
415 1 85 ILE MG 1 96 ILE HA . . 4.060 2.647 2.202 3.399 . 0 0 "[ . 1]" 1
416 1 93 ILE MG 1 96 ILE MD . . 4.210 3.885 3.249 4.326 0.116 7 0 "[ . 1]" 1
417 1 138 LYS HA 1 172 ALA MB . . 5.500 5.014 4.540 5.400 . 0 0 "[ . 1]" 1
418 1 81 THR HA 1 81 THR MG . . 3.400 2.826 2.215 3.206 . 0 0 "[ . 1]" 1
419 1 127 TYR QD 1 136 ALA MB . . 4.100 3.809 2.710 4.149 0.049 4 0 "[ . 1]" 1
420 1 136 ALA MB 1 180 ILE MD . . 3.510 2.637 2.130 3.476 . 0 0 "[ . 1]" 1
421 1 136 ALA MB 1 180 ILE MG . . 5.420 3.376 2.566 4.100 . 0 0 "[ . 1]" 1
422 1 83 ALA MB 1 103 VAL HB . . 3.810 3.272 2.561 3.773 . 0 0 "[ . 1]" 1
423 1 91 ALA MB 1 93 ILE HA . . 5.500 5.054 4.875 5.452 . 0 0 "[ . 1]" 1
424 1 83 ALA MB 1 103 VAL HA . . 5.500 5.007 4.519 5.518 0.018 7 0 "[ . 1]" 1
425 1 78 ASP HA 1 83 ALA MB . . 5.040 4.265 3.992 4.465 . 0 0 "[ . 1]" 1
426 1 88 ASN HA 1 91 ALA MB . . 5.500 4.489 4.034 5.505 0.005 9 0 "[ . 1]" 1
427 1 77 VAL HA 1 83 ALA MB . . 4.420 3.212 2.364 3.472 . 0 0 "[ . 1]" 1
428 1 74 ILE MG 1 91 ALA MB . . 4.690 4.450 3.891 4.722 0.032 10 0 "[ . 1]" 1
429 1 175 VAL MG2 1 180 ILE H . . 5.500 4.388 2.626 5.225 . 0 0 "[ . 1]" 1
430 1 93 ILE HB 1 93 ILE MD . . 3.320 3.220 3.215 3.231 . 0 0 "[ . 1]" 1
431 1 108 VAL HB 1 113 ILE MD . . 4.620 4.618 4.513 4.643 0.023 9 0 "[ . 1]" 1
432 1 123 THR HB 1 124 ILE MG . . 5.480 5.083 4.695 5.481 0.001 1 0 "[ . 1]" 1
433 1 139 ILE HA 1 139 ILE MD . . 4.250 3.624 3.342 3.774 . 0 0 "[ . 1]" 1
434 1 112 ASP HA 1 113 ILE MG . . 4.560 4.261 4.223 4.368 . 0 0 "[ . 1]" 1
435 1 74 ILE MD 1 89 VAL H . . 4.500 3.265 2.550 3.905 . 0 0 "[ . 1]" 1
436 1 85 ILE MG 1 96 ILE MD . . 3.610 3.442 1.837 3.653 0.043 6 0 "[ . 1]" 1
437 1 137 LEU MD2 1 172 ALA MB . . 3.710 2.913 1.760 3.721 0.011 8 0 "[ . 1]" 1
438 1 91 ALA MB 1 96 ILE MD . . 4.000 2.933 2.385 3.333 . 0 0 "[ . 1]" 1
439 1 175 VAL MG2 1 180 ILE MG . . 3.690 2.584 1.738 2.999 . 0 0 "[ . 1]" 1
440 1 177 VAL MG2 1 180 ILE MD . . 5.500 3.828 2.447 4.500 . 0 0 "[ . 1]" 1
441 1 113 ILE MD 1 117 ALA MB . . 3.170 2.166 1.930 2.410 . 0 0 "[ . 1]" 1
442 1 113 ILE MG 1 114 GLU H . . 3.620 3.479 3.443 3.519 . 0 0 "[ . 1]" 1
443 1 177 VAL H 1 180 ILE MD . . 4.600 4.484 4.202 4.612 0.012 9 0 "[ . 1]" 1
444 1 76 PHE QE 1 85 ILE MD . . 4.270 2.698 1.959 4.346 0.076 7 0 "[ . 1]" 1
445 1 76 PHE QE 1 124 ILE MD . . 3.720 2.493 1.954 3.597 . 0 0 "[ . 1]" 1
446 1 93 ILE MD 1 96 ILE H . . 4.860 4.725 4.491 4.873 0.013 9 0 "[ . 1]" 1
447 1 76 PHE QD 1 124 ILE MD . . 3.740 2.665 2.132 3.119 . 0 0 "[ . 1]" 1
448 1 124 ILE MD 1 125 HIS HA . . 3.970 3.403 3.128 3.619 . 0 0 "[ . 1]" 1
449 1 113 ILE H 1 113 ILE MD . . 3.990 3.207 3.012 3.313 . 0 0 "[ . 1]" 1
450 1 124 ILE H 1 124 ILE MD . . 4.450 3.546 3.368 3.696 . 0 0 "[ . 1]" 1
451 1 124 ILE MD 1 125 HIS H . . 4.660 3.232 3.019 3.500 . 0 0 "[ . 1]" 1
452 1 124 ILE HA 1 124 ILE MD . . 4.030 3.705 3.643 3.776 . 0 0 "[ . 1]" 1
453 1 74 ILE MG 1 75 GLN HA . . 4.360 3.819 3.692 4.010 . 0 0 "[ . 1]" 1
454 1 73 PHE QD 1 74 ILE MG . . 4.940 4.801 4.586 4.931 . 0 0 "[ . 1]" 1
455 1 74 ILE MG 1 76 PHE QD . . 5.220 4.851 4.584 5.246 0.026 6 0 "[ . 1]" 1
456 1 137 LEU MD1 1 174 GLU H . . 4.790 4.084 3.529 4.813 0.023 10 0 "[ . 1]" 1
457 1 76 PHE QD 1 96 ILE MG . . 3.890 3.213 2.364 3.824 . 0 0 "[ . 1]" 1
458 1 74 ILE MD 1 128 PHE HA . . 4.590 4.299 3.852 4.572 . 0 0 "[ . 1]" 1
459 1 74 ILE MD 1 128 PHE QE . . 4.410 2.425 1.950 3.502 . 0 0 "[ . 1]" 1
460 1 139 ILE MD 1 172 ALA MB . . 3.930 2.814 2.078 3.932 0.002 8 0 "[ . 1]" 1
461 1 116 GLN H 1 117 ALA MB . . 4.430 4.210 4.033 4.401 . 0 0 "[ . 1]" 1
462 1 76 PHE QD 1 83 ALA MB . . 4.000 3.700 3.447 4.065 0.065 9 0 "[ . 1]" 1
463 1 76 PHE QE 1 83 ALA MB . . 4.140 2.978 2.557 3.364 . 0 0 "[ . 1]" 1
464 1 81 THR H 1 83 ALA MB . . 5.070 4.767 4.511 5.168 0.098 5 0 "[ . 1]" 1
465 1 83 ALA MB 1 84 GLN HE22 . . 5.260 4.081 3.704 4.529 . 0 0 "[ . 1]" 1
466 1 113 ILE H 1 113 ILE MG . . 3.820 2.989 2.917 3.065 . 0 0 "[ . 1]" 1
467 1 138 LYS H 1 172 ALA MB . . 4.050 3.869 3.561 4.057 0.007 7 0 "[ . 1]" 1
468 1 169 THR H 1 169 THR MG . . 3.630 2.483 1.923 3.622 . 0 0 "[ . 1]" 1
469 1 93 ILE H 1 93 ILE MG . . 3.780 3.764 3.755 3.766 . 0 0 "[ . 1]" 1
470 1 93 ILE MG 1 94 ARG H . . 3.890 3.616 3.560 3.825 . 0 0 "[ . 1]" 1
471 1 137 LEU HA 1 172 ALA MB . . 4.820 4.734 4.478 4.855 0.035 3 0 "[ . 1]" 1
472 1 123 THR HA 1 124 ILE MG . . 4.190 3.517 3.315 3.844 . 0 0 "[ . 1]" 1
473 1 80 LEU MD1 1 121 ASN HD21 . . 5.700 3.337 1.876 4.130 . 0 0 "[ . 1]" 1
474 1 89 VAL H 1 89 VAL MG2 . . 3.860 2.411 1.939 3.763 . 0 0 "[ . 1]" 1
475 1 76 PHE H 1 77 VAL QG . . 5.440 4.356 3.790 5.127 . 0 0 "[ . 1]" 1
476 1 77 VAL H 1 77 VAL QG . . 3.290 2.609 2.167 2.906 . 0 0 "[ . 1]" 1
477 1 77 VAL QG 1 78 ASP H . . 3.270 1.943 1.897 2.015 . 0 0 "[ . 1]" 1
478 1 77 VAL QG 1 83 ALA MB . . 3.760 3.529 3.155 3.762 0.002 3 0 "[ . 1]" 1
479 1 77 VAL QG 1 127 TYR QD . . 3.980 2.879 2.054 3.915 . 0 0 "[ . 1]" 1
480 1 80 LEU H 1 80 LEU QD . . 3.920 2.834 1.896 3.754 . 0 0 "[ . 1]" 1
481 1 80 LEU HA 1 80 LEU QD . . 3.880 2.693 1.912 3.341 . 0 0 "[ . 1]" 1
482 1 80 LEU QD 1 81 THR H . . 3.870 3.170 2.413 3.664 . 0 0 "[ . 1]" 1
483 1 80 LEU QD 1 82 GLY H . . 5.100 4.659 3.745 5.116 0.016 4 0 "[ . 1]" 1
484 1 80 LEU QD 1 121 ASN HA . . 5.050 2.814 1.926 3.897 . 0 0 "[ . 1]" 1
485 1 80 LEU QD 1 121 ASN QD . . 3.400 2.230 1.854 3.131 . 0 0 "[ . 1]" 1
486 1 80 LEU MD2 1 121 ASN HD22 . . 5.700 3.498 2.212 5.408 . 0 0 "[ . 1]" 1
487 1 81 THR H 1 82 GLY QA . . 4.990 4.141 3.888 4.623 . 0 0 "[ . 1]" 1
488 1 83 ALA H 1 103 VAL QG . . 4.210 3.747 3.203 4.213 0.003 8 0 "[ . 1]" 1
489 1 83 ALA MB 1 103 VAL QG . . 3.580 2.149 1.738 2.417 . 0 0 "[ . 1]" 1
490 1 84 GLN H 1 103 VAL QG . . 4.280 3.544 2.756 4.296 0.016 10 0 "[ . 1]" 1
491 1 88 ASN H 1 88 ASN QD . . 3.790 3.175 2.060 3.795 0.005 2 0 "[ . 1]" 1
492 1 88 ASN QD 1 90 TYR H . . 4.480 3.736 1.876 4.513 0.033 7 0 "[ . 1]" 1
493 1 89 VAL QG 1 90 TYR H . . 3.720 2.909 1.996 3.316 . 0 0 "[ . 1]" 1
494 1 89 VAL QG 1 90 TYR QD . . 4.620 3.115 1.907 3.947 . 0 0 "[ . 1]" 1
495 1 89 VAL QG 1 90 TYR QE . . 4.340 3.343 2.335 4.288 . 0 0 "[ . 1]" 1
496 1 89 VAL QG 1 91 ALA H . . 4.590 4.314 3.945 4.603 0.013 9 0 "[ . 1]" 1
497 1 103 VAL H 1 103 VAL QG . . 3.000 2.012 1.872 2.217 . 0 0 "[ . 1]" 1
498 1 103 VAL QG 1 104 ARG H . . 3.370 2.520 2.035 3.054 . 0 0 "[ . 1]" 1
499 1 103 VAL QG 1 105 LYS H . . 4.420 4.328 4.147 4.472 0.052 7 0 "[ . 1]" 1
500 1 106 LYS H 1 108 VAL QG . . 4.630 4.249 4.034 4.703 0.073 9 0 "[ . 1]" 1
501 1 108 VAL H 1 108 VAL QG . . 2.990 2.020 1.916 2.408 . 0 0 "[ . 1]" 1
502 1 108 VAL QG 1 109 GLU H . . 2.990 2.224 2.089 3.077 0.087 9 0 "[ . 1]" 1
503 1 108 VAL QG 1 111 ASP H . . 4.180 4.050 3.816 4.312 0.132 4 0 "[ . 1]" 1
504 1 113 ILE HB 1 116 GLN QE . . 4.660 4.118 3.697 4.356 . 0 0 "[ . 1]" 1
505 1 113 ILE MG 1 116 GLN QE . . 3.740 2.535 2.125 3.742 0.002 5 0 "[ . 1]" 1
506 1 117 ALA HA 1 121 ASN QD . . 4.070 3.334 2.006 4.071 0.001 8 0 "[ . 1]" 1
507 1 117 ALA MB 1 121 ASN QD . . 3.780 3.112 2.662 3.684 . 0 0 "[ . 1]" 1
508 1 118 LEU H 1 118 LEU QD . . 4.240 3.404 2.602 3.786 . 0 0 "[ . 1]" 1
509 1 118 LEU H 1 121 ASN QD . . 5.030 4.622 4.025 5.019 . 0 0 "[ . 1]" 1
510 1 118 LEU HA 1 118 LEU QD . . 3.900 2.529 2.032 2.887 . 0 0 "[ . 1]" 1
511 1 118 LEU QD 1 119 GLY H . . 4.500 3.834 3.282 4.100 . 0 0 "[ . 1]" 1
512 1 121 ASN HA 1 121 ASN QD . . 4.390 3.659 3.022 4.156 . 0 0 "[ . 1]" 1
513 1 128 PHE QD 1 137 LEU QD . . 4.810 4.221 2.967 4.827 0.017 6 0 "[ . 1]" 1
514 1 136 ALA H 1 175 VAL QG . . 4.810 4.122 3.417 4.597 . 0 0 "[ . 1]" 1
515 1 137 LEU H 1 137 LEU QD . . 3.940 3.613 3.351 3.879 . 0 0 "[ . 1]" 1
516 1 137 LEU HA 1 137 LEU QD . . 3.390 2.263 1.916 2.905 . 0 0 "[ . 1]" 1
517 1 137 LEU QD 1 138 LYS H . . 3.710 2.198 1.898 2.471 . 0 0 "[ . 1]" 1
518 1 137 LEU QD 1 139 ILE H . . 5.040 3.960 3.571 4.601 . 0 0 "[ . 1]" 1
519 1 137 LEU QD 1 139 ILE HA . . 4.900 4.224 3.712 4.803 . 0 0 "[ . 1]" 1
520 1 137 LEU QD 1 139 ILE HB . . 4.460 3.073 2.556 3.602 . 0 0 "[ . 1]" 1
521 1 137 LEU QD 1 139 ILE MG . . 4.940 3.549 3.043 4.319 . 0 0 "[ . 1]" 1
522 1 137 LEU QD 1 139 ILE MD . . 5.260 4.077 3.334 5.183 . 0 0 "[ . 1]" 1
523 1 137 LEU QD 1 172 ALA H . . 4.830 4.488 4.255 4.799 . 0 0 "[ . 1]" 1
524 1 137 LEU QD 1 172 ALA HA . . 5.080 3.593 3.441 3.732 . 0 0 "[ . 1]" 1
525 1 137 LEU QD 1 172 ALA MB . . 2.990 1.845 1.753 1.927 . 0 0 "[ . 1]" 1
526 1 137 LEU QD 1 173 VAL H . . 4.190 2.796 2.471 2.941 . 0 0 "[ . 1]" 1
527 1 137 LEU QD 1 173 VAL HA . . 4.590 3.848 3.338 4.073 . 0 0 "[ . 1]" 1
528 1 137 LEU QD 1 174 GLU H . . 4.050 3.517 2.697 3.976 . 0 0 "[ . 1]" 1
529 1 137 LEU QD 1 174 GLU HA . . 3.480 2.587 1.952 3.288 . 0 0 "[ . 1]" 1
530 1 137 LEU QD 1 175 VAL H . . 4.520 3.932 3.389 4.529 0.009 3 0 "[ . 1]" 1
531 1 141 LEU H 1 141 LEU QD . . 3.600 3.550 3.443 3.605 0.005 4 0 "[ . 1]" 1
532 1 142 MET HA 1 166 LEU QD . . 4.130 3.680 3.262 4.095 . 0 0 "[ . 1]" 1
533 1 142 MET HB3 1 166 LEU MD1 . . 5.380 3.545 2.340 4.278 . 0 0 "[ . 1]" 1
534 1 142 MET HB3 1 166 LEU MD2 . . 5.380 3.467 1.970 5.037 . 0 0 "[ . 1]" 1
535 1 147 LEU H 1 147 LEU QD . . 3.250 2.359 2.075 2.977 . 0 0 "[ . 1]" 1
536 1 147 LEU HA 1 147 LEU QD . . 4.220 3.105 1.960 3.432 . 0 0 "[ . 1]" 1
537 1 154 ASN QD 1 156 ILE HB . . 5.150 4.926 4.459 5.161 0.011 8 0 "[ . 1]" 1
538 1 154 ASN QD 1 156 ILE MD . . 4.490 2.890 1.908 3.744 . 0 0 "[ . 1]" 1
539 1 154 ASN QD 1 157 ALA H . . 4.470 3.443 1.903 4.561 0.091 7 0 "[ . 1]" 1
540 1 154 ASN QD 1 157 ALA HA . . 3.970 3.470 2.865 3.947 . 0 0 "[ . 1]" 1
541 1 154 ASN QD 1 157 ALA MB . . 4.180 3.024 1.936 4.193 0.013 9 0 "[ . 1]" 1
542 1 155 GLY QA 1 156 ILE H . . 2.780 2.545 2.230 2.807 0.027 2 0 "[ . 1]" 1
543 1 155 GLY QA 1 156 ILE MG . . 4.190 3.558 2.873 4.194 0.004 2 0 "[ . 1]" 1
544 1 155 GLY QA 1 156 ILE MD . . 4.280 3.702 2.644 4.539 0.259 2 0 "[ . 1]" 1
545 1 164 LEU QD 1 165 GLU H . . 3.960 2.955 2.069 3.880 . 0 0 "[ . 1]" 1
546 1 166 LEU H 1 166 LEU QD . . 4.140 3.475 2.860 3.906 . 0 0 "[ . 1]" 1
547 1 166 LEU HA 1 166 LEU QD . . 3.520 2.517 1.904 3.394 . 0 0 "[ . 1]" 1
548 1 166 LEU QD 1 167 ARG H . . 3.960 3.171 1.948 3.653 . 0 0 "[ . 1]" 1
549 1 173 VAL QG 1 174 GLU H . . 2.810 2.655 2.545 2.814 0.004 10 0 "[ . 1]" 1
550 1 173 VAL QG 1 175 VAL H . . 4.660 4.331 4.072 4.590 . 0 0 "[ . 1]" 1
551 1 175 VAL H 1 175 VAL QG . . 3.400 2.760 2.323 2.970 . 0 0 "[ . 1]" 1
552 1 175 VAL QG 1 176 ASP H . . 3.390 2.368 2.149 2.628 . 0 0 "[ . 1]" 1
553 1 175 VAL QG 1 176 ASP HA . . 4.420 3.967 3.733 4.210 . 0 0 "[ . 1]" 1
554 1 175 VAL QG 1 179 ASP H . . 4.940 3.793 3.541 4.100 . 0 0 "[ . 1]" 1
555 1 175 VAL QG 1 180 ILE H . . 4.040 2.525 2.084 2.955 . 0 0 "[ . 1]" 1
556 1 175 VAL QG 1 180 ILE HA . . 4.360 3.175 2.585 3.656 . 0 0 "[ . 1]" 1
557 1 175 VAL QG 1 180 ILE MG . . 3.130 1.782 1.577 1.957 . 0 0 "[ . 1]" 1
558 1 175 VAL QG 1 180 ILE MD . . 4.880 3.651 2.505 4.135 . 0 0 "[ . 1]" 1
559 1 176 ASP HB3 1 177 VAL QG . . 4.070 3.524 3.377 3.774 . 0 0 "[ . 1]" 1
560 1 177 VAL H 1 177 VAL QG . . 2.950 1.992 1.814 2.373 . 0 0 "[ . 1]" 1
561 1 177 VAL QG 1 178 LYS H . . 3.230 2.075 1.913 2.155 . 0 0 "[ . 1]" 1
562 1 177 VAL QG 1 180 ILE H . . 5.440 4.747 4.667 4.887 . 0 0 "[ . 1]" 1
563 1 177 VAL QG 1 180 ILE MD . . 4.390 2.836 2.433 3.322 . 0 0 "[ . 1]" 1
564 1 185 VAL H 1 185 VAL QG . . 2.530 2.092 1.925 2.509 . 0 0 "[ . 1]" 1
565 1 185 VAL QG 1 186 GLU H . . 3.390 2.250 2.021 2.794 . 0 0 "[ . 1]" 1
566 1 85 ILE MD 1 96 ILE MD . . 7.000 3.762 3.074 4.066 . 0 0 "[ . 1]" 1
567 1 175 VAL MG1 1 180 ILE MD . . 7.000 3.787 2.543 4.345 . 0 0 "[ . 1]" 1
568 1 93 ILE MD 1 141 LEU MD1 . . 8.000 5.367 3.849 7.042 . 0 0 "[ . 1]" 1
569 1 124 ILE MD 1 141 LEU MD1 . . 8.000 3.311 2.028 4.259 . 0 0 "[ . 1]" 1
570 1 74 ILE MD 1 93 ILE MD . . 9.000 8.003 7.157 8.852 . 0 0 "[ . 1]" 1
571 1 74 ILE MD 1 89 VAL MG2 . . 8.000 3.133 2.105 4.235 . 0 0 "[ . 1]" 1
572 1 124 ILE MD 1 166 LEU MD2 . . 8.000 7.244 6.155 8.005 0.005 10 0 "[ . 1]" 1
573 1 124 ILE MD 1 166 LEU MD1 . . 8.000 7.533 6.828 7.988 . 0 0 "[ . 1]" 1
574 1 93 ILE MD 1 166 LEU MD2 . . 8.000 7.821 7.324 8.006 0.006 7 0 "[ . 1]" 1
575 1 93 ILE MD 1 166 LEU MD1 . . 8.000 7.916 7.609 8.007 0.007 8 0 "[ . 1]" 1
576 1 80 LEU MD2 1 113 ILE MD . . 8.000 5.981 3.926 8.000 . 3 0 "[ . 1]" 1
577 1 80 LEU MD1 1 113 ILE MD . . 8.000 6.146 4.022 7.643 . 0 0 "[ . 1]" 1
578 1 113 ILE MD 1 118 LEU MD2 . . 8.000 5.854 4.817 6.844 . 0 0 "[ . 1]" 1
579 1 113 ILE MD 1 118 LEU MD1 . . 8.000 5.118 3.032 6.874 . 0 0 "[ . 1]" 1
580 1 108 VAL MG2 1 113 ILE MD . . 8.000 4.123 2.315 5.203 . 0 0 "[ . 1]" 1
581 1 108 VAL MG1 1 113 ILE MD . . 8.000 5.015 3.048 5.551 . 0 0 "[ . 1]" 1
582 1 108 VAL QG 1 118 LEU MD1 . . 8.000 5.451 3.727 7.986 . 0 0 "[ . 1]" 1
583 1 108 VAL QG 1 118 LEU MD2 . . 8.000 6.293 4.888 7.965 . 0 0 "[ . 1]" 1
584 1 164 LEU MD1 1 166 LEU MD1 . . 8.000 6.585 5.378 7.715 . 0 0 "[ . 1]" 1
585 1 164 LEU MD2 1 166 LEU MD1 . . 8.000 6.462 4.922 8.005 0.005 10 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 53.992
_Distance_constraint_stats_list.Viol_max 0.387
_Distance_constraint_stats_list.Viol_rms 0.0307
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0316
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 74 ILE 0.287 0.117 7 0 "[ . 1]"
1 75 GLN 0.331 0.088 4 0 "[ . 1]"
1 76 PHE 0.862 0.262 6 0 "[ . 1]"
1 77 VAL 0.351 0.139 6 0 "[ . 1]"
1 85 ILE 0.862 0.262 6 0 "[ . 1]"
1 87 GLU 0.287 0.117 7 0 "[ . 1]"
1 93 ILE 0.065 0.058 7 0 "[ . 1]"
1 97 GLN 0.065 0.058 7 0 "[ . 1]"
1 100 PHE 0.033 0.022 7 0 "[ . 1]"
1 101 SER 0.038 0.034 7 0 "[ . 1]"
1 102 GLU 0.212 0.046 7 0 "[ . 1]"
1 103 VAL 0.032 0.008 3 0 "[ . 1]"
1 104 ARG 0.160 0.027 7 0 "[ . 1]"
1 105 LYS 0.070 0.034 7 0 "[ . 1]"
1 106 LYS 0.336 0.056 4 0 "[ . 1]"
1 107 MET 0.032 0.008 3 0 "[ . 1]"
1 108 VAL 0.128 0.027 7 0 "[ . 1]"
1 109 GLU 0.032 0.015 3 0 "[ . 1]"
1 110 ASN 0.124 0.056 4 0 "[ . 1]"
1 115 MET 0.317 0.049 10 0 "[ . 1]"
1 119 GLY 0.317 0.049 10 0 "[ . 1]"
1 124 ILE 0.122 0.044 6 0 "[ . 1]"
1 125 HIS 0.351 0.139 6 0 "[ . 1]"
1 126 ALA 0.282 0.062 4 0 "[ . 1]"
1 127 TYR 0.331 0.088 4 0 "[ . 1]"
1 128 PHE 0.200 0.056 5 0 "[ . 1]"
1 130 LYS 1.398 0.387 5 0 "[ . 1]"
1 135 LYS 1.398 0.387 5 0 "[ . 1]"
1 136 ALA 0.087 0.026 8 0 "[ . 1]"
1 137 LEU 0.200 0.056 5 0 "[ . 1]"
1 138 LYS 0.265 0.094 4 0 "[ . 1]"
1 139 ILE 0.282 0.062 4 0 "[ . 1]"
1 141 LEU 0.122 0.044 6 0 "[ . 1]"
1 173 VAL 0.265 0.094 4 0 "[ . 1]"
1 175 VAL 0.087 0.026 8 0 "[ . 1]"
1 176 ASP 0.235 0.060 10 0 "[ . 1]"
1 180 ILE 0.235 0.060 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 74 ILE H 1 87 GLU O . . 2.000 1.997 1.923 2.035 0.035 4 0 "[ . 1]" 2
2 1 74 ILE N 1 87 GLU O . . 3.000 2.808 2.726 2.861 . 0 0 "[ . 1]" 2
3 1 74 ILE O 1 87 GLU H . . 2.000 1.991 1.845 2.117 0.117 7 0 "[ . 1]" 2
4 1 74 ILE O 1 87 GLU N . . 3.000 2.846 2.747 3.001 0.001 7 0 "[ . 1]" 2
5 1 76 PHE H 1 85 ILE O . . 2.000 1.825 1.762 1.925 . 0 0 "[ . 1]" 2
6 1 76 PHE N 1 85 ILE O . . 3.000 2.714 2.701 2.734 . 0 0 "[ . 1]" 2
7 1 76 PHE O 1 85 ILE H . . 2.000 2.085 2.028 2.262 0.262 6 0 "[ . 1]" 2
8 1 76 PHE O 1 85 ILE N . . 3.000 2.933 2.842 3.014 0.014 6 0 "[ . 1]" 2
9 1 75 GLN H 1 127 TYR O . . 2.000 1.981 1.864 2.078 0.078 4 0 "[ . 1]" 2
10 1 75 GLN N 1 127 TYR O . . 3.000 2.891 2.748 3.019 0.019 6 0 "[ . 1]" 2
11 1 75 GLN O 1 127 TYR H . . 2.000 1.931 1.786 2.088 0.088 4 0 "[ . 1]" 2
12 1 75 GLN O 1 127 TYR N . . 3.000 2.826 2.704 3.014 0.014 4 0 "[ . 1]" 2
13 1 77 VAL H 1 125 HIS O . . 2.000 1.957 1.790 2.036 0.036 4 0 "[ . 1]" 2
14 1 77 VAL N 1 125 HIS O . . 3.000 2.894 2.745 2.984 . 0 0 "[ . 1]" 2
15 1 77 VAL O 1 125 HIS H . . 2.000 2.006 1.953 2.139 0.139 6 0 "[ . 1]" 2
16 1 77 VAL O 1 125 HIS N . . 3.000 2.806 2.744 3.065 0.065 6 0 "[ . 1]" 2
17 1 130 LYS H 1 135 LYS O . . 2.000 2.131 2.002 2.387 0.387 5 0 "[ . 1]" 2
18 1 130 LYS N 1 135 LYS O . . 3.000 2.881 2.698 3.051 0.051 10 0 "[ . 1]" 2
19 1 128 PHE H 1 137 LEU O . . 2.000 1.980 1.859 2.056 0.056 5 0 "[ . 1]" 2
20 1 128 PHE N 1 137 LEU O . . 3.000 2.730 2.699 2.764 . 0 0 "[ . 1]" 2
21 1 128 PHE O 1 137 LEU H . . 2.000 1.942 1.843 2.047 0.047 4 0 "[ . 1]" 2
22 1 128 PHE O 1 137 LEU N . . 3.000 2.798 2.704 2.924 . 0 0 "[ . 1]" 2
23 1 126 ALA H 1 139 ILE O . . 2.000 1.885 1.797 1.981 . 0 0 "[ . 1]" 2
24 1 126 ALA N 1 139 ILE O . . 3.000 2.769 2.736 2.839 . 0 0 "[ . 1]" 2
25 1 126 ALA O 1 139 ILE H . . 2.000 2.024 1.992 2.062 0.062 4 0 "[ . 1]" 2
26 1 126 ALA O 1 139 ILE N . . 3.000 2.973 2.873 3.027 0.027 4 0 "[ . 1]" 2
27 1 124 ILE H 1 141 LEU O . . 2.000 1.978 1.854 2.044 0.044 6 0 "[ . 1]" 2
28 1 124 ILE N 1 141 LEU O . . 3.000 2.916 2.832 2.979 . 0 0 "[ . 1]" 2
29 1 124 ILE O 1 141 LEU H . . 2.000 1.933 1.786 2.015 0.015 10 0 "[ . 1]" 2
30 1 124 ILE O 1 141 LEU N . . 3.000 2.769 2.737 2.839 . 0 0 "[ . 1]" 2
31 1 136 ALA H 1 175 VAL O . . 2.000 1.929 1.791 2.024 0.024 5 0 "[ . 1]" 2
32 1 136 ALA N 1 175 VAL O . . 3.000 2.779 2.736 2.867 . 0 0 "[ . 1]" 2
33 1 136 ALA O 1 175 VAL H . . 2.000 1.940 1.794 2.026 0.026 8 0 "[ . 1]" 2
34 1 136 ALA O 1 175 VAL N . . 3.000 2.890 2.749 2.986 . 0 0 "[ . 1]" 2
35 1 138 LYS H 1 173 VAL O . . 2.000 1.927 1.815 2.034 0.034 10 0 "[ . 1]" 2
36 1 138 LYS N 1 173 VAL O . . 3.000 2.842 2.760 2.956 . 0 0 "[ . 1]" 2
37 1 138 LYS O 1 173 VAL H . . 2.000 2.013 1.941 2.094 0.094 4 0 "[ . 1]" 2
38 1 138 LYS O 1 173 VAL N . . 3.000 2.962 2.804 3.014 0.014 4 0 "[ . 1]" 2
39 1 93 ILE O 1 97 GLN H . . 2.000 1.919 1.817 2.058 0.058 7 0 "[ . 1]" 2
40 1 93 ILE O 1 97 GLN N . . 3.000 2.827 2.731 3.006 0.006 7 0 "[ . 1]" 2
41 1 100 PHE O 1 104 ARG H . . 2.000 1.885 1.809 2.022 0.022 7 0 "[ . 1]" 2
42 1 100 PHE O 1 104 ARG N . . 3.000 2.826 2.738 2.984 . 0 0 "[ . 1]" 2
43 1 101 SER O 1 105 LYS H . . 2.000 1.905 1.829 2.034 0.034 7 0 "[ . 1]" 2
44 1 101 SER O 1 105 LYS N . . 3.000 2.802 2.747 2.918 . 0 0 "[ . 1]" 2
45 1 102 GLU O 1 106 LYS H . . 2.000 2.021 2.010 2.046 0.046 7 0 "[ . 1]" 2
46 1 102 GLU O 1 106 LYS N . . 3.000 2.973 2.920 2.991 . 0 0 "[ . 1]" 2
47 1 103 VAL O 1 107 MET H . . 2.000 1.975 1.882 2.008 0.008 3 0 "[ . 1]" 2
48 1 103 VAL O 1 107 MET N . . 3.000 2.893 2.779 2.971 . 0 0 "[ . 1]" 2
49 1 104 ARG O 1 108 VAL H . . 2.000 2.011 1.980 2.027 0.027 7 0 "[ . 1]" 2
50 1 104 ARG O 1 108 VAL N . . 3.000 2.978 2.913 2.998 . 0 0 "[ . 1]" 2
51 1 105 LYS O 1 109 GLU H . . 2.000 1.949 1.825 2.015 0.015 3 0 "[ . 1]" 2
52 1 105 LYS O 1 109 GLU N . . 3.000 2.817 2.735 2.892 . 0 0 "[ . 1]" 2
53 1 106 LYS O 1 110 ASN H . . 2.000 1.991 1.825 2.056 0.056 4 0 "[ . 1]" 2
54 1 106 LYS O 1 110 ASN N . . 3.000 2.886 2.758 2.993 . 0 0 "[ . 1]" 2
55 1 115 MET O 1 119 GLY H . . 2.000 2.025 1.934 2.049 0.049 10 0 "[ . 1]" 2
56 1 115 MET O 1 119 GLY N . . 3.000 2.816 2.754 2.981 . 0 0 "[ . 1]" 2
57 1 176 ASP O 1 180 ILE H . . 2.000 2.021 2.006 2.060 0.060 10 0 "[ . 1]" 2
58 1 176 ASP O 1 180 ILE N . . 3.000 2.986 2.969 3.026 0.026 10 0 "[ . 1]" 2
stop_
save_
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